(3,5-diamino-6-chloropyrazin-2-yl) N-[(2R)-2-(diaminomethylideneamino)pentyl]carbamate

C11H19ClN8O2 — CID 88876197

IUPAC(3,5-diamino-6-chloropyrazin-2-yl) N-[(2R)-2-(diaminomethylideneamino)pentyl]carbamate
SMILESCCC[C@H](CNC(=O)Oc1nc(Cl)c(N)nc1N)N=C(N)N
InChIInChI=1S/C11H19ClN8O2/c1-2-3-5(18-10(15)16)4-17-11(21)22-9-8(14)20-7(13)6(12)19-9/h5H,2-4H2,1H3,(H,17,21)(H4,13,14,20)(H4,15,16,18)/t5-/m1/s1
InChIKeyNJJNJPOFPNDISB-RXMQYKEDSA-N
MW330.78 g/mol
LogP-0.18
Rot. Bonds6

About (3,5-diamino-6-chloropyrazin-2-yl) N-[(2R)-2-(diaminomethylideneamino)pentyl]carbamate

(3,5-diamino-6-chloropyrazin-2-yl) N-[(2R)-2-(diaminomethylideneamino)pentyl]carbamate (PubChem CID 88876197) has the molecular formula C11H19ClN8O2 and a molecular weight of 330.78 g/mol. Its IUPAC name is (3,5-diamino-6-chloropyrazin-2-yl) N-[(2R)-2-(diaminomethylideneamino)pentyl]carbamate.

Molecular Properties

Compound Name(3,5-diamino-6-chloropyrazin-2-yl) N-[(2R)-2-(diaminomethylideneamino)pentyl]carbamate
PubChem CID88876197
Molecular FormulaC11H19ClN8O2
Molecular Weight330.78 g/mol
Exact Mass330.13
IUPAC Name(3,5-diamino-6-chloropyrazin-2-yl) N-[(2R)-2-(diaminomethylideneamino)pentyl]carbamate
SMILESCCC[C@H](CNC(=O)Oc1nc(Cl)c(N)nc1N)N=C(N)N
InChIInChI=1S/C11H19ClN8O2/c1-2-3-5(18-10(15)16)4-17-11(21)22-9-8(14)20-7(13)6(12)19-9/h5H,2-4H2,1H3,(H,17,21)(H4,13,14,20)(H4,15,16,18)/t5-/m1/s1
InChIKeyNJJNJPOFPNDISB-RXMQYKEDSA-N
XLogP-0.18
TPSA180.55 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.78
LogP ≤ 5-0.18
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

(3,5-diamino-6-chloropyrazin-2-yl) N-[(2S)-2-aminobutyl]carbamate
CID 88876218
1-aminobutyl 3,5-diamino-6-chloropyrazine-2-carboxylate
CID 123418593
[(2S)-1-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]pentan-2-yl]-trimethylazanium
CID 57389653
3,5-diamino-6-chloro-N-[2-(diaminomethylideneamino)ethyl]pyrazine-2-carboxamide
CID 14406036
3,5-diamino-N-[(2R)-2-aminobutyl]-6-chloropyrazine-2-carboxamide
CID 44513113
2-octan-4-ylguanidine
CID 106025621
3,5-diamino-N-[(2R)-2-[1-aminoethenyl-[3-(4-methoxyphenyl)propyl]amino]pentyl]-6-chloropyrazine-2-carboxamide
CID 89132035
3,5-diamino-N-[(2S)-2-[1-aminoethenyl-[3-(4-methoxyphenyl)propyl]amino]pentyl]-6-chloropyrazine-2-carboxamide
CID 89132036
diethyl 2-(2,6-dichloro-3-pyridinyl)propanedioate
CID 153378550
3,5-diamino-N-[2-(1-aminopentan-3-ylamino)ethyl]-6-chloropyrazine-2-carboxamide
CID 23035418
3,5-diamino-N-[(2S)-2-[carbamimidoyl-[3-(4-methoxyphenyl)propyl]amino]pentyl]-6-chloropyrazine-2-carboxamide
CID 44513784
(4,5-diamino-6-chloro-2-pyridinyl) N-ethylcarbamate
CID 91619520

Frequently Asked Questions

What is the IUPAC name of (3,5-diamino-6-chloropyrazin-2-yl) N-[(2R)-2-(diaminomethylideneamino)pentyl]carbamate?
The IUPAC name of (3,5-diamino-6-chloropyrazin-2-yl) N-[(2R)-2-(diaminomethylideneamino)pentyl]carbamate (CID 88876197) is (3,5-diamino-6-chloropyrazin-2-yl) N-[(2R)-2-(diaminomethylideneamino)pentyl]carbamate.
What is the SMILES notation for (3,5-diamino-6-chloropyrazin-2-yl) N-[(2R)-2-(diaminomethylideneamino)pentyl]carbamate?
The canonical SMILES for (3,5-diamino-6-chloropyrazin-2-yl) N-[(2R)-2-(diaminomethylideneamino)pentyl]carbamate is CCC[C@H](CNC(=O)Oc1nc(Cl)c(N)nc1N)N=C(N)N.
What is the InChIKey of (3,5-diamino-6-chloropyrazin-2-yl) N-[(2R)-2-(diaminomethylideneamino)pentyl]carbamate?
The InChIKey is NJJNJPOFPNDISB-RXMQYKEDSA-N. The full InChI is InChI=1S/C11H19ClN8O2/c1-2-3-5(18-10(15)16)4-17-11(21)22-9-8(14)20-7(13)6(12)19-9/h5H,2-4H2,1H3,(H,17,21)(H4,13,14,20)(H4,15,16,18)/t5-/m1/s1.
What are the key properties of (3,5-diamino-6-chloropyrazin-2-yl) N-[(2R)-2-(diaminomethylideneamino)pentyl]carbamate?
(3,5-diamino-6-chloropyrazin-2-yl) N-[(2R)-2-(diaminomethylideneamino)pentyl]carbamate has a molecular weight of 330.78 g/mol, XLogP of -0.18, 6 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-diamino-6-chloropyrazin-2-yl) N-[(2R)-2-(diaminomethylideneamino)pentyl]carbamate is sourced from PubChem (CID 88876197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).