(3S)-4-ethyl-3-methyl-1-propan-2-yl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine-6-carboximidamide

C14H24N4 — CID 134403191

IUPAC(3S)-4-ethyl-3-methyl-1-propan-2-yl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine-6-carboximidamide
SMILES[H]/N=C(\N)C1CC2=C(CC)[C@H](C)N=C(C(C)C)N2C1
InChIInChI=1S/C14H24N4/c1-5-11-9(4)17-14(8(2)3)18-7-10(13(15)16)6-12(11)18/h8-10H,5-7H2,1-4H3,(H3,15,16)/t9-,10?/m0/s1
InChIKeyUKAPCJTXKWCISJ-RGURZIINSA-N
MW248.37 g/mol
LogP2.36
Rot. Bonds3

About (3S)-4-ethyl-3-methyl-1-propan-2-yl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine-6-carboximidamide

(3S)-4-ethyl-3-methyl-1-propan-2-yl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine-6-carboximidamide (PubChem CID 134403191) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is (3S)-4-ethyl-3-methyl-1-propan-2-yl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine-6-carboximidamide.

Molecular Properties

Compound Name(3S)-4-ethyl-3-methyl-1-propan-2-yl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine-6-carboximidamide
PubChem CID134403191
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC Name(3S)-4-ethyl-3-methyl-1-propan-2-yl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine-6-carboximidamide
SMILES[H]/N=C(\N)C1CC2=C(CC)[C@H](C)N=C(C(C)C)N2C1
InChIInChI=1S/C14H24N4/c1-5-11-9(4)17-14(8(2)3)18-7-10(13(15)16)6-12(11)18/h8-10H,5-7H2,1-4H3,(H3,15,16)/t9-,10?/m0/s1
InChIKeyUKAPCJTXKWCISJ-RGURZIINSA-N
XLogP2.36
TPSA65.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3S)-4-ethyl-3-methyl-1-propan-2-yl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine-6-carboximidamide?
The IUPAC name of (3S)-4-ethyl-3-methyl-1-propan-2-yl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine-6-carboximidamide (CID 134403191) is (3S)-4-ethyl-3-methyl-1-propan-2-yl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine-6-carboximidamide.
What is the SMILES notation for (3S)-4-ethyl-3-methyl-1-propan-2-yl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine-6-carboximidamide?
The canonical SMILES for (3S)-4-ethyl-3-methyl-1-propan-2-yl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine-6-carboximidamide is [H]/N=C(\N)C1CC2=C(CC)[C@H](C)N=C(C(C)C)N2C1.
What is the InChIKey of (3S)-4-ethyl-3-methyl-1-propan-2-yl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine-6-carboximidamide?
The InChIKey is UKAPCJTXKWCISJ-RGURZIINSA-N. The full InChI is InChI=1S/C14H24N4/c1-5-11-9(4)17-14(8(2)3)18-7-10(13(15)16)6-12(11)18/h8-10H,5-7H2,1-4H3,(H3,15,16)/t9-,10?/m0/s1.
What are the key properties of (3S)-4-ethyl-3-methyl-1-propan-2-yl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine-6-carboximidamide?
(3S)-4-ethyl-3-methyl-1-propan-2-yl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine-6-carboximidamide has a molecular weight of 248.37 g/mol, XLogP of 2.36, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-ethyl-3-methyl-1-propan-2-yl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine-6-carboximidamide is sourced from PubChem (CID 134403191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).