(3R)-3-amino-N,1,4-trimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine-5-carboxamide

C11H18N4O — CID 135159616

IUPAC(3R)-3-amino-N,1,4-trimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine-5-carboxamide
SMILESCNC(=O)C1CCN2C(C)=N[C@@H](N)C(C)=C12
InChIInChI=1S/C11H18N4O/c1-6-9-8(11(16)13-3)4-5-15(9)7(2)14-10(6)12/h8,10H,4-5,12H2,1-3H3,(H,13,16)/t8?,10-/m1/s1
InChIKeyZCTNCVMDKIUSKQ-LHIURRSHSA-N
MW222.29 g/mol
LogP0.05
Rot. Bonds1

About (3R)-3-amino-N,1,4-trimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine-5-carboxamide

(3R)-3-amino-N,1,4-trimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine-5-carboxamide (PubChem CID 135159616) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is (3R)-3-amino-N,1,4-trimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name(3R)-3-amino-N,1,4-trimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine-5-carboxamide
PubChem CID135159616
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name(3R)-3-amino-N,1,4-trimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine-5-carboxamide
SMILESCNC(=O)C1CCN2C(C)=N[C@@H](N)C(C)=C12
InChIInChI=1S/C11H18N4O/c1-6-9-8(11(16)13-3)4-5-15(9)7(2)14-10(6)12/h8,10H,4-5,12H2,1-3H3,(H,13,16)/t8?,10-/m1/s1
InChIKeyZCTNCVMDKIUSKQ-LHIURRSHSA-N
XLogP0.05
TPSA70.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-N,1,4-trimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine-5-carboxamide?
The IUPAC name of (3R)-3-amino-N,1,4-trimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine-5-carboxamide (CID 135159616) is (3R)-3-amino-N,1,4-trimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine-5-carboxamide.
What is the SMILES notation for (3R)-3-amino-N,1,4-trimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine-5-carboxamide?
The canonical SMILES for (3R)-3-amino-N,1,4-trimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine-5-carboxamide is CNC(=O)C1CCN2C(C)=N[C@@H](N)C(C)=C12.
What is the InChIKey of (3R)-3-amino-N,1,4-trimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine-5-carboxamide?
The InChIKey is ZCTNCVMDKIUSKQ-LHIURRSHSA-N. The full InChI is InChI=1S/C11H18N4O/c1-6-9-8(11(16)13-3)4-5-15(9)7(2)14-10(6)12/h8,10H,4-5,12H2,1-3H3,(H,13,16)/t8?,10-/m1/s1.
What are the key properties of (3R)-3-amino-N,1,4-trimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine-5-carboxamide?
(3R)-3-amino-N,1,4-trimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine-5-carboxamide has a molecular weight of 222.29 g/mol, XLogP of 0.05, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-N,1,4-trimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine-5-carboxamide is sourced from PubChem (CID 135159616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).