2-[bis(cyclopropylmethyl)amino]-6-methylpyrimidine-4-carboximidamide

C14H21N5 — CID 107550536

IUPAC2-[bis(cyclopropylmethyl)amino]-6-methylpyrimidine-4-carboximidamide
SMILES[H]/N=C(\N)c1cc(C)nc(N(CC2CC2)CC2CC2)n1
InChIInChI=1S/C14H21N5/c1-9-6-12(13(15)16)18-14(17-9)19(7-10-2-3-10)8-11-4-5-11/h6,10-11H,2-5,7-8H2,1H3,(H3,15,16)
InChIKeyGSRMAYJEHVYGEQ-UHFFFAOYSA-N
MW259.36 g/mol
LogP1.70
Rot. Bonds6

About 2-[bis(cyclopropylmethyl)amino]-6-methylpyrimidine-4-carboximidamide

2-[bis(cyclopropylmethyl)amino]-6-methylpyrimidine-4-carboximidamide (PubChem CID 107550536) has the molecular formula C14H21N5 and a molecular weight of 259.36 g/mol. Its IUPAC name is 2-[bis(cyclopropylmethyl)amino]-6-methylpyrimidine-4-carboximidamide.

Molecular Properties

Compound Name2-[bis(cyclopropylmethyl)amino]-6-methylpyrimidine-4-carboximidamide
PubChem CID107550536
Molecular FormulaC14H21N5
Molecular Weight259.36 g/mol
Exact Mass259.18
IUPAC Name2-[bis(cyclopropylmethyl)amino]-6-methylpyrimidine-4-carboximidamide
SMILES[H]/N=C(\N)c1cc(C)nc(N(CC2CC2)CC2CC2)n1
InChIInChI=1S/C14H21N5/c1-9-6-12(13(15)16)18-14(17-9)19(7-10-2-3-10)8-11-4-5-11/h6,10-11H,2-5,7-8H2,1H3,(H3,15,16)
InChIKeyGSRMAYJEHVYGEQ-UHFFFAOYSA-N
XLogP1.70
TPSA78.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.36
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

2-[cyclopropyl(methyl)amino]-6-methylpyrimidine-4-carboximidamide
CID 107550128
2-[bis(2-methylpropyl)amino]-6-methylpyrimidine-4-carboximidamide
CID 107550214
2-(dibutylamino)-6-methylpyrimidine-4-carboximidamide
CID 107550121
6-methyl-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]pyrimidine-4-carboximidamide
CID 107550498
2-[cyclopropyl(propyl)amino]-6-methylpyrimidine-4-carboximidamide
CID 107550138
2-[cyclopropylmethyl(propyl)amino]-6-methylpyrimidine-4-carbothioamide
CID 107546828
2-[cyclopropylmethyl(ethyl)amino]pyrimidine-4-carboximidamide
CID 107550528
6-methyl-2-[methyl-(1-methylpiperidin-4-yl)amino]pyrimidine-4-carboximidamide
CID 107550091
2-[2-(dimethylamino)ethyl-methylamino]-6-methylpyrimidine-4-carboximidamide
CID 107550514
2-[cyclobutylmethyl(ethyl)amino]-6-methylpyrimidine-4-carbothioamide
CID 107548268
2-[cyclopentyl(3-methylbutyl)amino]-6-methylpyrimidine-4-carboximidamide
CID 107550614
2-[cyclopropylmethyl(methyl)amino]-6-methylpyridine-4-carboximidamide
CID 114768906

Frequently Asked Questions

What is the IUPAC name of 2-[bis(cyclopropylmethyl)amino]-6-methylpyrimidine-4-carboximidamide?
The IUPAC name of 2-[bis(cyclopropylmethyl)amino]-6-methylpyrimidine-4-carboximidamide (CID 107550536) is 2-[bis(cyclopropylmethyl)amino]-6-methylpyrimidine-4-carboximidamide.
What is the SMILES notation for 2-[bis(cyclopropylmethyl)amino]-6-methylpyrimidine-4-carboximidamide?
The canonical SMILES for 2-[bis(cyclopropylmethyl)amino]-6-methylpyrimidine-4-carboximidamide is [H]/N=C(\N)c1cc(C)nc(N(CC2CC2)CC2CC2)n1.
What is the InChIKey of 2-[bis(cyclopropylmethyl)amino]-6-methylpyrimidine-4-carboximidamide?
The InChIKey is GSRMAYJEHVYGEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5/c1-9-6-12(13(15)16)18-14(17-9)19(7-10-2-3-10)8-11-4-5-11/h6,10-11H,2-5,7-8H2,1H3,(H3,15,16).
What are the key properties of 2-[bis(cyclopropylmethyl)amino]-6-methylpyrimidine-4-carboximidamide?
2-[bis(cyclopropylmethyl)amino]-6-methylpyrimidine-4-carboximidamide has a molecular weight of 259.36 g/mol, XLogP of 1.70, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(cyclopropylmethyl)amino]-6-methylpyrimidine-4-carboximidamide is sourced from PubChem (CID 107550536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).